4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide

C16H18N2O4S2 — CID 97117712

IUPAC4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)cs1
InChIInChI=1S/C16H18N2O4S2/c1-17-16(19)15-7-13(10-23-15)24(20,21)18-8-11-6-12-4-2-3-5-14(12)22-9-11/h2-5,7,10-11,18H,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyWIBXHDNNHSIYRG-NSHDSACASA-N
MW366.46 g/mol
LogP1.64
Rot. Bonds5

About 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide

4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide (PubChem CID 97117712) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
PubChem CID97117712
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)cs1
InChIInChI=1S/C16H18N2O4S2/c1-17-16(19)15-7-13(10-23-15)24(20,21)18-8-11-6-12-4-2-3-5-14(12)22-9-11/h2-5,7,10-11,18H,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyWIBXHDNNHSIYRG-NSHDSACASA-N
XLogP1.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
CID 97204550
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
3-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzene-1,3-disulfonamide
CID 55512090
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
CID 94201312
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 97126102
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 102556261
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide (CID 97117712) is 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)cs1.
What is the InChIKey of 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide?
The InChIKey is WIBXHDNNHSIYRG-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-17-16(19)15-7-13(10-23-15)24(20,21)18-8-11-6-12-4-2-3-5-14(12)22-9-11/h2-5,7,10-11,18H,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide?
4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 97117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).